6AZ6
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![BU of 6az6 by Molmil](/molmil-images/mine/6az6) | Streptococcus agalactiae GntR | Descriptor: | GntR family transcriptional regulator | Authors: | Pellock, S.J, Redinbo, M.R. | Deposit date: | 2017-09-10 | Release date: | 2017-12-20 | Last modified: | 2019-12-04 | Method: | X-RAY DIFFRACTION (1.909 Å) | Cite: | Structural basis for the regulation of beta-glucuronidase expression by human gut Enterobacteriaceae. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6AYI
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![BU of 6ayi by Molmil](/molmil-images/mine/6ayi) | Escherichia coli GusR | Descriptor: | 4-nitrophenyl beta-D-glucopyranosiduronic acid, HTH-type transcriptional regulator UidR | Authors: | Little, M.S, Pellock, S.J. | Deposit date: | 2017-09-08 | Release date: | 2017-12-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structural basis for the regulation of beta-glucuronidase expression by human gut Enterobacteriaceae. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6CHZ
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![BU of 6chz by Molmil](/molmil-images/mine/6chz) | Estrogen Receptor Alpha Y537S bound to antagonist H3B-9224. | Descriptor: | 1,2-ETHANEDIOL, 4-[(2-{4-[(1E)-1-(1H-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-N,N-dimethylbutanamide, Estrogen receptor | Authors: | Larsen, N.A. | Deposit date: | 2018-02-23 | Release date: | 2018-03-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Discovery of Selective Estrogen Receptor Covalent Antagonists for the Treatment of ER alphaWTand ER alphaMUTBreast Cancer. Cancer Discov, 8, 2018
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6CHW
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![BU of 6chw by Molmil](/molmil-images/mine/6chw) | Estrogen Receptor Alpha Y537S covalently bound to antagonist H3B-5942. | Descriptor: | 1,2-ETHANEDIOL, 4-[(2-{4-[(1E)-1-(1H-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-N,N-dimethylbutanamide, DIMETHYL SULFOXIDE, ... | Authors: | Larsen, N.A. | Deposit date: | 2018-02-23 | Release date: | 2018-03-21 | Last modified: | 2020-02-26 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Discovery of Selective Estrogen Receptor Covalent Antagonists for the Treatment of ER alphaWTand ER alphaMUTBreast Cancer. Cancer Discov, 8, 2018
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6CXS
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![BU of 6cxs by Molmil](/molmil-images/mine/6cxs) | Crystal Structure of Clostridium perfringens beta-glucuronidase bound with a novel, potent inhibitor 4-(8-(piperazin-1-yl)-1,2,3,4-tetrahydro-[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl)morpholine | Descriptor: | 4-(8-(piperazin-1-yl)-1,2,3,4-tetrahydro-[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl)morpholine, Beta-glucuronidase, Maltose/maltodextrin-binding periplasmic protein | Authors: | Wallace, B.D, Redinbo, M.R. | Deposit date: | 2018-04-04 | Release date: | 2019-04-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Targeted inhibition of gut bacterial beta-glucuronidase activity enhances anticancer drug efficacy. Proc.Natl.Acad.Sci.USA, 2020
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6DTX
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![BU of 6dtx by Molmil](/molmil-images/mine/6dtx) | Wildtype HIV-1 Reverse Transcriptase in complex with JLJ 578 | Descriptor: | 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-6-fluoroindolizine-2-carbonitrile, GLYCEROL, Reverse transcriptase/ribonuclease H, ... | Authors: | Sasaki, T, Gannam, Z.T.K, Anderson, K.S, Jorgensen, W.L, Lee, W. | Deposit date: | 2018-06-18 | Release date: | 2019-07-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.327 Å) | Cite: | Molecular and cellular studies evaluating a potent 2-cyanoindolizine catechol diether NNRTI targeting wildtype and Y181C mutant HIV-1 reverse transcriptase. Bioorg.Med.Chem.Lett., 29, 2019
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6D7J
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![BU of 6d7j by Molmil](/molmil-images/mine/6d7j) | |
6DTW
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![BU of 6dtw by Molmil](/molmil-images/mine/6dtw) | HIV-1 Reverse Transcriptase Y181C Mutant in complex with JLJ 578 | Descriptor: | 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-6-fluoroindolizine-2-carbonitrile, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ... | Authors: | Sasaki, T, Gannam, Z.T.K, Anderson, K.S, Jorgensen, W.L, Lee, W. | Deposit date: | 2018-06-18 | Release date: | 2019-07-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.742 Å) | Cite: | Molecular and cellular studies evaluating a potent 2-cyanoindolizine catechol diether NNRTI targeting wildtype and Y181C mutant HIV-1 reverse transcriptase. Bioorg.Med.Chem.Lett., 29, 2019
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1NHQ
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![BU of 1nhq by Molmil](/molmil-images/mine/1nhq) | CRYSTALLOGRAPHIC ANALYSES OF NADH PEROXIDASE CYS42ALA AND CYS42SER MUTANTS: ACTIVE SITE STRUCTURE, MECHANISTIC IMPLICATIONS, AND AN UNUSUAL ENVIRONMENT OF ARG303 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADH PEROXIDASE, SULFATE ION | Authors: | Mande, S.S, Claiborne, A, Hol, W.G.J. | Deposit date: | 1994-12-09 | Release date: | 1995-02-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystallographic analyses of NADH peroxidase Cys42Ala and Cys42Ser mutants: active site structures, mechanistic implications, and an unusual environment of Arg 303. Biochemistry, 34, 1995
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1NHP
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![BU of 1nhp by Molmil](/molmil-images/mine/1nhp) | CRYSTALLOGRAPHIC ANALYSES OF NADH PEROXIDASE CYS42ALA AND CYS42SER MUTANTS: ACTIVE SITE STRUCTURE, MECHANISTIC IMPLICATIONS, AND AN UNUSUAL ENVIRONMENT OF ARG303 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADH PEROXIDASE, SULFATE ION | Authors: | Mande, S.S, Claiborne, A, Hol, W.G.J. | Deposit date: | 1994-12-09 | Release date: | 1995-02-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystallographic analyses of NADH peroxidase Cys42Ala and Cys42Ser mutants: active site structures, mechanistic implications, and an unusual environment of Arg 303. Biochemistry, 34, 1995
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1NHS
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![BU of 1nhs by Molmil](/molmil-images/mine/1nhs) | |
1PBF
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![BU of 1pbf by Molmil](/molmil-images/mine/1pbf) | CRYSTAL STRUCTURES OF WILD-TYPE P-HYDROXYBENZOATE HYDROXYLASE COMPLEXED WITH 4-AMINOBENZOATE, 2,4-DIHYDROXYBENZOATE AND 2-HYDROXY-4-AMINOBENZOATE AND OF THE TRY222ALA MUTANT, COMPLEXED WITH 2-HYDROXY-4-AMINOBENZOATE. EVIDENCE FOR A PROTON CHANNEL AND A NEW BINDING MODE OF THE FLAVIN RING | Descriptor: | 2-HYDROXY-4-AMINOBENZOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE | Authors: | Schreuder, H.A, Van Der Bolt, F.J.T, Van Berkel, W.J.H. | Deposit date: | 1994-07-06 | Release date: | 1994-09-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structures of wild-type p-hydroxybenzoate hydroxylase complexed with 4-aminobenzoate,2,4-dihydroxybenzoate, and 2-hydroxy-4-aminobenzoate and of the Tyr222Ala mutant complexed with 2-hydroxy-4-aminobenzoate. Evidence for a proton channel and a new binding mode of the flavin ring Biochemistry, 33, 1994
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1PBB
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![BU of 1pbb by Molmil](/molmil-images/mine/1pbb) | CRYSTAL STRUCTURES OF WILD-TYPE P-HYDROXYBENZOATE HYDROXYLASE COMPLEXED WITH 4-AMINOBENZOATE, 2,4-DIHYDROXYBENZOATE AND 2-HYDROXY-4-AMINOBENZOATE AND OF THE TRY222ALA MUTANT, COMPLEXED WITH 2-HYDROXY-4-AMINOBENZOATE. EVIDENCE FOR A PROTON CHANNEL AND A NEW BINDING MODE OF THE FLAVIN RING | Descriptor: | 2,4-DIHYDROXYBENZOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE | Authors: | Schreuder, H.A, Mattevi, A, Hol, W.G.J. | Deposit date: | 1994-07-06 | Release date: | 1994-09-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structures of wild-type p-hydroxybenzoate hydroxylase complexed with 4-aminobenzoate,2,4-dihydroxybenzoate, and 2-hydroxy-4-aminobenzoate and of the Tyr222Ala mutant complexed with 2-hydroxy-4-aminobenzoate. Evidence for a proton channel and a new binding mode of the flavin ring Biochemistry, 33, 1994
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1PBC
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![BU of 1pbc by Molmil](/molmil-images/mine/1pbc) | CRYSTAL STRUCTURES OF WILD-TYPE P-HYDROXYBENZOATE HYDROXYLASE COMPLEXED WITH 4-AMINOBENZOATE, 2,4-DIHYDROXYBENZOATE AND 2-HYDROXY-4-AMINOBENZOATE AND OF THE TRY222ALA MUTANT, COMPLEXED WITH 2-HYDROXY-4-AMINOBENZOATE. EVIDENCE FOR A PROTON CHANNEL AND A NEW BINDING MODE OF THE FLAVIN RING | Descriptor: | 2-HYDROXY-4-AMINOBENZOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE | Authors: | Schreuder, H.A, Van Der Bolt, F.J.T, Van Berkel, W.J.H. | Deposit date: | 1994-07-06 | Release date: | 1994-09-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structures of wild-type p-hydroxybenzoate hydroxylase complexed with 4-aminobenzoate,2,4-dihydroxybenzoate, and 2-hydroxy-4-aminobenzoate and of the Tyr222Ala mutant complexed with 2-hydroxy-4-aminobenzoate. Evidence for a proton channel and a new binding mode of the flavin ring Biochemistry, 33, 1994
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4QIA
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![BU of 4qia by Molmil](/molmil-images/mine/4qia) | Crystal structure of human insulin degrading enzyme (ide) in complex with inhibitor N-benzyl-N-(carboxymethyl)glycyl-L-histidine | Descriptor: | Insulin-degrading enzyme, N-benzyl-N-(carboxymethyl)glycyl-L-histidine, ZINC ION | Authors: | Guo, Q, Deprez-Poulain, R, Deprez, B, Tang, W.J. | Deposit date: | 2014-05-30 | Release date: | 2015-05-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.202 Å) | Cite: | Structure-activity relationships of imidazole-derived 2-[N-carbamoylmethyl-alkylamino]acetic acids, dual binders of human insulin-degrading enzyme. Eur.J.Med.Chem., 90, 2015
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1OJT
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![BU of 1ojt by Molmil](/molmil-images/mine/1ojt) | |
1PHH
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![BU of 1phh by Molmil](/molmil-images/mine/1phh) | CRYSTAL STRUCTURE OF P-HYDROXYBENZOATE HYDROXYLASE COMPLEXED WITH ITS REACTION PRODUCT 3,4-DIHYDROXYBENZOATE | Descriptor: | 3,4-DIHYDROXYBENZOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE | Authors: | Schreuder, H.A, Drenth, J. | Deposit date: | 1987-11-04 | Release date: | 1988-04-16 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of p-hydroxybenzoate hydroxylase complexed with its reaction product 3,4-dihydroxybenzoate. J.Mol.Biol., 199, 1988
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1NHR
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![BU of 1nhr by Molmil](/molmil-images/mine/1nhr) | |
1P2P
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![BU of 1p2p by Molmil](/molmil-images/mine/1p2p) | STRUCTURE OF PORCINE PANCREATIC PHOSPHOLIPASE A2 AT 2.6 ANGSTROMS RESOLUTION AND COMPARISON WITH BOVINE PHOSPHOLIPASE A2 | Descriptor: | CALCIUM ION, PHOSPHOLIPASE A2 | Authors: | Dijkstra, B.W, Renetseder, R, Kalk, K.H, Hol, W.G.J, Drenth, J. | Deposit date: | 1983-06-27 | Release date: | 1983-09-15 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of porcine pancreatic phospholipase A2 at 2.6 A resolution and comparison with bovine phospholipase A2. J.Mol.Biol., 168, 1983
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1OXY
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![BU of 1oxy by Molmil](/molmil-images/mine/1oxy) | |
4PHT
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![BU of 4pht by Molmil](/molmil-images/mine/4pht) | ATPase GspE in complex with the cytoplasmic domain of GspL from the Vibrio vulnificus type II Secretion system | Descriptor: | General secretory pathway protein E, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Lu, C, Korotkov, K, Hol, W. | Deposit date: | 2014-05-06 | Release date: | 2014-11-26 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Crystal structure of the full-length ATPase GspE from the Vibrio vulnificus type II secretion system in complex with the cytoplasmic domain of GspL. J.Struct.Biol., 187, 2014
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4PHC
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![BU of 4phc by Molmil](/molmil-images/mine/4phc) | Crystal Structure of a human cytosolic histidyl-tRNA synthetase, histidine-bound | Descriptor: | GLYCEROL, HISTIDINE, Histidine--tRNA ligase, ... | Authors: | Koh, C.Y, Wetzel, A.B, de van der Schueren, W.J, Hol, W.G.J. | Deposit date: | 2014-05-06 | Release date: | 2014-08-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.844 Å) | Cite: | Comparison of histidine recognition in human and trypanosomatid histidyl-tRNA synthetases. Biochimie, 106, 2014
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1QS0
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![BU of 1qs0 by Molmil](/molmil-images/mine/1qs0) | Crystal Structure of Pseudomonas Putida 2-oxoisovalerate Dehydrogenase (Branched-Chain Alpha-Keto Acid Dehydrogenase, E1B) | Descriptor: | 2-OXO-4-METHYLPENTANOIC ACID, 2-OXOISOVALERATE DEHYDROGENASE ALPHA-SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA-SUBUNIT, ... | Authors: | Aevarsson, A, Seger, K, Turley, S, Sokatch, J.R, Hol, W.G.J. | Deposit date: | 1999-06-24 | Release date: | 1999-08-18 | Last modified: | 2021-08-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of 2-oxoisovalerate and dehydrogenase and the architecture of 2-oxo acid dehydrogenase multienzyme complexes. Nat.Struct.Biol., 6, 1999
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1O9R
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![BU of 1o9r by Molmil](/molmil-images/mine/1o9r) | The X-ray crystal structure of Agrobacterium tumefaciens Dps, a member of the family that protect DNA without binding | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AGROBACTERIUM TUMEFACIENS DPS, ... | Authors: | Ilari, A, Ceci, P, Chiancone, E. | Deposit date: | 2002-12-18 | Release date: | 2003-05-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The Dps Protein of Agrobacterium Tumefaciens Does not Bind to DNA But Protects It Toward Oxidative Cleavage: X-Ray Crystal Structure, Iron Binding, and Hydroxyl-Radical Scavenging Properties J.Biol.Chem., 278, 2003
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1NOL
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![BU of 1nol by Molmil](/molmil-images/mine/1nol) | OXYGENATED HEMOCYANIN (SUBUNIT TYPE II) | Descriptor: | CALCIUM ION, COPPER (II) ION, HEMOCYANIN (SUBUNIT TYPE II), ... | Authors: | Hazes, B, Hol, W.G.J. | Deposit date: | 1995-10-17 | Release date: | 1996-03-08 | Last modified: | 2018-04-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of deoxygenated Limulus polyphemus subunit II hemocyanin at 2.18 A resolution: clues for a mechanism for allosteric regulation. Protein Sci., 2, 1993
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